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Home >> Chemical Listing >> Page 3172 >> 2-(4-Pyrimidinyl)-1,3-benzothiazole

2-(4-Pyrimidinyl)-1,3-benzothiazole
[CAS# 99867-06-8]

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Identification
Name 2-(4-Pyrimidinyl)-1,3-benzothiazole
Synonyms 2-(pyrimidin-4-yl)benzo[d]thiazole
Molecular Structure CAS#: 99867-06-8, 2-(4-Pyrimidinyl)-1,3-benzothiazole
Molecular Formula C11H7N3S
Molecular Weight 213.26
CAS Registry Number 99867-06-8
SMILES C1=CC=C2C(=C1)N=C(S2)C3=NC=NC=C3
InChI 1S/C11H7N3S/c1-2-4-10-8(3-1)14-11(15-10)9-5-6-12-7-13-9/h1-7H
InChIKey JHOYIPRFLVMLCC-UHFFFAOYSA-N
Properties
Density 1.4±0.1g/cm3 (Cal.)
Boiling point 398.7±34.0°C at 760 mmHg (Cal.)
Flash point 193.1±16.0°C (Cal.)
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